SCHEMBL667473

SCHEMBL667473

COc1ccc(Cc2c(C)cc(S(=O)(=O)O)cc2C)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.45
THRA P10827 10/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RORC P51449 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10105511 0.85 THRB (0.48) THRBTHRAHTT
SCHEMBL666284 0.83 THRB (0.62) THRBTHRAALDH1A1HTT
SCHEMBL282445 0.83 THRB (0.49) THRBTHRAOPRK1RORC
SCHEMBL7114452 0.81 THRB (0.50) THRBTHRARORC
SCHEMBL666032 0.80 THRB (0.43) THRBTHRAALDH1A1OPRK1RORC
SCHEMBL6864460 0.80 THRB (0.48) THRBTHRAALDH1A1OPRK1
SCHEMBL6864242 0.79 THRB (0.49) THRBTHRAOPRK1RORC
SCHEMBL666663 0.79 THRB (0.47) THRBTHRAALDH1A1TSHROPRK1
SCHEMBL282942 0.77 THRB (0.45) THRBTHRAHTTRORC
SCHEMBL7590192 0.77 ALDH1A1 (0.43) THRBTHRAALDH1A1TSHRHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use METABASIS THERAPEUTICS, INC. (US) 2012-02-23 US disclosed
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use METABASIS THERAPEUTICS, INC. (US) 2012-02-23 US disclosed
WO-2010093601-A1 NOVEL SULFONIC ACID-CONTAINING THYROMIMETICS, AND METHODS FOR THEIR USE METABASIS THERAPEUTICS, INC. (US) 2010-08-19 WO disclosed
WO-2010093601-A1 NOVEL SULFONIC ACID-CONTAINING THYROMIMETICS, AND METHODS FOR THEIR USE METABASIS THERAPEUTICS, INC. (US) 2010-08-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use THRB, TSHR, THRA THRB 1/4885THRA 3/4885ALDH1A1 2189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.